Geometry & MOs

Info

ID:	144718
PubChem CID:	53402808
Reduced:	ClNOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	187.02002
ΔH_f, kcal/mol:	-191.93
Dipole, Da:	4.22
IP(EA), eV:	-9.46(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2-chloro-5-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C(C=C1)N)C(F)(F)F)Cl

DOS

IR

Vibrations